Vitas-M small molecule compound
(5S)-5-((9S,10R,13R,17R)-10-((E)-(butylimino)methyl)-3,5,14-trihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
Catalog ID
STL562249
SMILES CCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1C=CC(=O)O1)C)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H41NO5 MW 459.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO5/c1-3-4-15-28-17-25-12-7-18(29)16-26(25,31)13-9-20-19(25)8-11-24(2)21(10-14-27(20,24)32)22-5-6-23(30)33-22/h5-6,17-22,29,31-32H,3-4,7-16H2,1-2H3/b28-17+/t18?,19-,20?,21-,22?,24+,25-,26?,27?/m0/s1InChIKey
GUUQBVHAKHDDDB-BCJSKJLHSA-NSynonyms
(5S)5((9S10R13R17R)10((E)(butylimino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
CCCCN=C(C@@)12CCC(CC2(O)CCC2(C@@H)1CC(C@)1(C2(O)CC(C@H)1C1C=CC(=O)O1)C)O
MFCD32651209
ZINC000035361182
ZINC000253500646
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